3-thiophen-2-ylpent-2-enoic acid

C9H10O2S — CID 61333342

IUPAC3-thiophen-2-ylpent-2-enoic acid
SMILESCCC(=CC(=O)O)c1cccs1
InChIInChI=1S/C9H10O2S/c1-2-7(6-9(10)11)8-4-3-5-12-8/h3-6H,2H2,1H3,(H,10,11)
InChIKeyKZGIOPLHOMIGLV-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.63
Rot. Bonds3

About 3-thiophen-2-ylpent-2-enoic acid

3-thiophen-2-ylpent-2-enoic acid (PubChem CID 61333342) has the molecular formula C9H10O2S and a molecular weight of 182.24 g/mol. Its IUPAC name is 3-thiophen-2-ylpent-2-enoic acid.

Molecular Properties

Compound Name3-thiophen-2-ylpent-2-enoic acid
PubChem CID61333342
Molecular FormulaC9H10O2S
Molecular Weight182.24 g/mol
Exact Mass182.04
IUPAC Name3-thiophen-2-ylpent-2-enoic acid
SMILESCCC(=CC(=O)O)c1cccs1
InChIInChI=1S/C9H10O2S/c1-2-7(6-9(10)11)8-4-3-5-12-8/h3-6H,2H2,1H3,(H,10,11)
InChIKeyKZGIOPLHOMIGLV-UHFFFAOYSA-N
XLogP2.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(1Z,4Z)-1-ethyl-5-thiophen-2-ylhexa-1,4-dienyl]thiophene
CID 59972359
1-thiophen-2-ylpropan-1-one
CID 26179
(E)-3-(5-chlorothiophen-2-yl)pent-2-enoic acid
CID 82048795
3-thiophen-2-ylpent-2-enenitrile
CID 76913769
(E)-3-(5-methylthiophen-2-yl)pent-2-enoic acid
CID 83957672
ethyl 4-bromo-3-thiophen-2-ylbut-2-enoate
CID 66725880
4,4,4-trifluoro-3-thiophen-2-ylbut-2-enoic acid
CID 57367558
(E)-but-2-enedioic acid;thiophene-2-carboxylic acid
CID 172841521
(Z)-3-amino-1-thiophen-2-ylbut-2-en-1-one
CID 59145780
3-acetyl-1-thiophen-2-ylpent-2-ene-1,4-dione
CID 178078508
2-[(E)-1-bromopent-2-en-2-yl]thiophene
CID 126676876
thiophene-2-carboxylic acid;dihydrochloride
CID 142681507

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-ylpent-2-enoic acid?
The IUPAC name of 3-thiophen-2-ylpent-2-enoic acid (CID 61333342) is 3-thiophen-2-ylpent-2-enoic acid.
What is the SMILES notation for 3-thiophen-2-ylpent-2-enoic acid?
The canonical SMILES for 3-thiophen-2-ylpent-2-enoic acid is CCC(=CC(=O)O)c1cccs1.
What is the InChIKey of 3-thiophen-2-ylpent-2-enoic acid?
The InChIKey is KZGIOPLHOMIGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2S/c1-2-7(6-9(10)11)8-4-3-5-12-8/h3-6H,2H2,1H3,(H,10,11).
What are the key properties of 3-thiophen-2-ylpent-2-enoic acid?
3-thiophen-2-ylpent-2-enoic acid has a molecular weight of 182.24 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-ylpent-2-enoic acid is sourced from PubChem (CID 61333342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).